Information card for entry 4062275

Structure parameters

• Common name: chloro-hydrido-pinacolboryl-bis(triisopropylphosphine)rhodium
• Formula: C24 H55 B Cl O2 P2 Rh
• Calculated formula: C24 H55 B Cl O2 P2 Rh
• SMILES: [Rh]1([H][B]21OC(C(O2)(C)C)(C)C)([P](C(C)C)(C(C)C)C(C)C)([P](C(C)C)(C(C)C)C(C)C)Cl
• Title of publication: Accurate Molecular Structures of 16-Electron Rhodium Hydrido Boryl Complexes: Low-Temperature Single-Crystal X-ray and Neutron Diffraction and Computational Studies of [(PR~3~)~2~RhHCl(Boryl)] (Boryl = Bpin, Bcat)
• Authors of publication: Lam, Wai Han; Shimada, Shigeru; Batsanov, Andrei S.; Lin, Zhenyang; Marder, Todd B.; Cowan, John A.; Howard, Judith A. K.; Mason, Sax A.; McIntyre, Garry J.
• Journal of publication: Organometallics
• Year of publication: 2003
• Journal volume: 22
• Journal issue: 22
• Pages of publication: 4557 - 4568
• a: 10.6365 ± 0.0008 Å
• b: 14.9025 ± 0.0012 Å
• c: 19.1829 ± 0.0014 Å
• α: 90°
• β: 90.688 ± 0.004°
• γ: 90°
• Cell volume: 3040.5 ± 0.4 ų
• Cell temperature: 20 ± 2 K
• Ambient diffraction temperature: 20 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No